2-benzyl-6-(2,5-dimethylphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione

C23H23N5O2 — CID 16812128

IUPAC2-benzyl-6-(2,5-dimethylphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
SMILESCc1ccc(C)c(N2CCn3c2nc2c3c(=O)n(Cc3ccccc3)c(=O)n2C)c1
InChIInChI=1S/C23H23N5O2/c1-15-9-10-16(2)18(13-15)26-11-12-27-19-20(24-22(26)27)25(3)23(30)28(21(19)29)14-17-7-5-4-6-8-17/h4-10,13H,11-12,14H2,1-3H3
InChIKeyUBLXYMOXDAUBHP-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.71
Rot. Bonds3

About 2-benzyl-6-(2,5-dimethylphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione

2-benzyl-6-(2,5-dimethylphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione (PubChem CID 16812128) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-benzyl-6-(2,5-dimethylphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name2-benzyl-6-(2,5-dimethylphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
PubChem CID16812128
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name2-benzyl-6-(2,5-dimethylphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
SMILESCc1ccc(C)c(N2CCn3c2nc2c3c(=O)n(Cc3ccccc3)c(=O)n2C)c1
InChIInChI=1S/C23H23N5O2/c1-15-9-10-16(2)18(13-15)26-11-12-27-19-20(24-22(26)27)25(3)23(30)28(21(19)29)14-17-7-5-4-6-8-17/h4-10,13H,11-12,14H2,1-3H3
InChIKeyUBLXYMOXDAUBHP-UHFFFAOYSA-N
XLogP2.71
TPSA65.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2,5-dimethylphenyl)-4-methyl-2-[(E)-3-phenylprop-2-enyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 16626058
6-(2,4-dimethylphenyl)-4-methyl-2-(2-phenylethyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 16626120
6-(2,5-dimethylphenyl)-4-methyl-2-(2-methylprop-2-enyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 16589942
6-(2-methoxy-5-methylphenyl)-4-methyl-2-(2-phenylethyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 16623606
3-[(3-chlorophenyl)methyl]-9-(2,4-dimethylphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 16812198
2-ethyl-4-methyl-6-(2-methylphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 4894620
1-methyl-3-[(3-methylphenyl)methyl]-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 5207492
2-benzyl-4-methyl-6-(4-phenoxyphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 44893769
6-(4-bromophenyl)-4-methyl-2-[(3-methylphenyl)methyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 22549991
3-benzyl-9-(3-chloro-2-methylphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 16808203
2-[(4-chlorophenyl)methyl]-6-(3,4-dimethylphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 5074770
(7R)-3-benzyl-9-(3,4-dimethylphenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 40929695

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-(2,5-dimethylphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 2-benzyl-6-(2,5-dimethylphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione (CID 16812128) is 2-benzyl-6-(2,5-dimethylphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 2-benzyl-6-(2,5-dimethylphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 2-benzyl-6-(2,5-dimethylphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione is Cc1ccc(C)c(N2CCn3c2nc2c3c(=O)n(Cc3ccccc3)c(=O)n2C)c1.
What is the InChIKey of 2-benzyl-6-(2,5-dimethylphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
The InChIKey is UBLXYMOXDAUBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-15-9-10-16(2)18(13-15)26-11-12-27-19-20(24-22(26)27)25(3)23(30)28(21(19)29)14-17-7-5-4-6-8-17/h4-10,13H,11-12,14H2,1-3H3.
What are the key properties of 2-benzyl-6-(2,5-dimethylphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
2-benzyl-6-(2,5-dimethylphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione has a molecular weight of 401.47 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-(2,5-dimethylphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 16812128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).